SCHEMBL9239748

SCHEMBL9239748

C[C@@H](NC(=O)N1CCC[C@H]1C(=O)O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.50
▸ ITGB1 P05556 1/20 0.50
▸ ITGAV P06756 1/20 0.50
▸ ITGA5 P08648 1/20 0.50
▸ ITGA4 P13612 1/20 0.50
▸ CASR P41180 4/20 0.49
▸ MME P08473 1/20 0.49
▸ MMEL1 Q495T6 1/20 0.49
▸ METAP2 P50579 1/20 0.49
▸ METAP1 P53582 1/20 0.49
▸ SSTR4 P31391 2/20 0.48
▸ ACE P12821 1/20 0.46
▸ CYP2D6 P10635 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8334816 0.91 CASR (0.48) CASRMETAP2METAP1SSTR4CYP2D6
SCHEMBL7671144 0.91 CASR (0.48) CASRMETAP2METAP1SSTR4CYP2D6
SCHEMBL7671141 0.90 METAP2 (0.48) CASRMETAP2METAP1SSTR4CYP2D6
SCHEMBL25206507 0.82 FKBP1A (0.59) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL25197904 0.82 FKBP1A (0.59) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL25218421 0.82 FKBP1A (0.59) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL25266163 0.82 FKBP1A (0.59) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL25265364 0.82 FKBP1A (0.59) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL25197324 0.82 FKBP1A (0.59) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL25202155 0.82 FKBP1A (0.59) ITGB3ITGB1ITGAVITGA5ITGA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7278074-A — — None — — JP disclosed
JP-H07278074-A SEPARATION OF ISOMER OF 3,4-DIHYDROXYPHENYLSERINE SUMITOMO CHEM CO LTD 1995-10-24 — — JP disclosed
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